SCHEMBL6510162

SCHEMBL6510162

COc1ccc(Sc2cc(Nc3cccc(F)c3)nc(N(CCOC(C)C)C(=O)[C@@H](N)CC(C)C)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
AURKB Q96GD4 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
PTGIR P43119 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SYK P43405 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6513021 0.88 PDE10A (0.35) L3MBTL1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL6527853 0.86 HTR3E (0.34) L3MBTL1SMN1; SMN2POLBBRAF
SCHEMBL6513229 0.85 ALDH1A1 (0.35) L3MBTL1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL6513922 0.83 TDP1 (0.38) SMN1; SMN2LMNAMEN1KMT2AHPGD
SCHEMBL6508234 0.80 HPGD (0.37) L3MBTL1RXFP1SMN1; SMN2AURKBPOLB
SCHEMBL6510073 0.80 HPGD (0.39) L3MBTL1RXFP1SMN1; SMN2AURKBPOLB
SCHEMBL6510069 0.80 HPGD (0.39) L3MBTL1RXFP1SMN1; SMN2AURKBPOLB
SCHEMBL6528749 0.79 MEN1 (0.37) L3MBTL1AURKBPOLBMEN1KMT2A
SCHEMBL6528181 0.79 TBK1 (0.35) L3MBTL1AURKBPOLBMEN1KMT2A
SCHEMBL6514102 0.79 HPGD (0.40) L3MBTL1RXFP1SMN1; SMN2AURKBPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO claimed
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed